SCHEMBL1178471

SCHEMBL1178471

Fc1ccc(Br)cc1CNC1=NCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.34
▸ KMT2A Q03164 7/20 0.34
▸ MAPT P10636 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ WDR5 P61964 3/20 0.31
▸ CFB P00751 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1178523 0.83 CFB (0.39) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL1178861 0.78 TAAR1 (0.34) MEN1KMT2AMAPTABL1SRC
SCHEMBL12870230 0.74 APP (0.42) L3MBTL1MAPK1TDP1EGFRADRA2A
SCHEMBL1179180 0.74 CYP2A13 (0.41) KMT2AEGFRADRA2AADRA2BADRA2C
SCHEMBL1180320 0.72 HPGD (0.44) MEN1KMT2AMAPTL3MBTL1ADRA2A
SCHEMBL6912399 0.70 SLC6A4 (0.45) —
SCHEMBL14213773 0.69 ENPP2 (0.41) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL10014958 0.69 TAAR1 (0.45) KMT2AMAPTMAPK1ADRA2AADRA2B
SCHEMBL1179567 0.69 CFB (0.39) EGFRADRA2AADRA2BADRA2CADRA1A
SCHEMBL8348698 0.69 TAAR1 (0.34) ADRA2AADRA2BADRA2CADRA1ACFB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
EP-2459542-A1 SELECTIVE ALPHA 2B/2C AGONISTS Allergan, Inc. (US) 2012-06-06 — — EP disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — WO disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028523-A1 Selective Alpha 2B/2C Agonists ADRA2C, ADRA2B, ADRB2 MEN1 3899/4885KMT2A 4074/4885MAPT 3786/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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